5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one

C10H17N3O3 — CID 137009559

IUPAC5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCCCN(C)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-13(5-4-6-15-2)9-8(16-3)10(14)12-7-11-9/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyHVOJKTUNVNSWGZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.25
Rot. Bonds6

About 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009559) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID137009559
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCCCN(C)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-13(5-4-6-15-2)9-8(16-3)10(14)12-7-11-9/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyHVOJKTUNVNSWGZ-UHFFFAOYSA-N
XLogP0.25
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957802
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009050
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972734

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one (CID 137009559) is 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one is COCCCN(C)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HVOJKTUNVNSWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13(5-4-6-15-2)9-8(16-3)10(14)12-7-11-9/h7H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).